3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

C19H16N2O5 — CID 51153429

IUPAC3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)oc2ccccc12
InChIInChI=1S/C19H16N2O5/c1-24-9-13-12-4-2-3-5-15(12)26-18(13)19(23)20-11-6-7-16-14(8-11)21-17(22)10-25-16/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyAFIVAZJTBCQPQS-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.16
Rot. Bonds4

About 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 51153429) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
PubChem CID51153429
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)oc2ccccc12
InChIInChI=1S/C19H16N2O5/c1-24-9-13-12-4-2-3-5-15(12)26-18(13)19(23)20-11-6-7-16-14(8-11)21-17(22)10-25-16/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyAFIVAZJTBCQPQS-UHFFFAOYSA-N
XLogP3.16
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
CID 31020420
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125
N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
CID 17479827
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (CID 51153429) is 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is AFIVAZJTBCQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-9-13-12-4-2-3-5-15(12)26-18(13)19(23)20-11-6-7-16-14(8-11)21-17(22)10-25-16/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51153429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).